Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H17ClF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1 |
InChIKey | InChI | 1.03 | MJHCQQXAUYYTBY-DABHTEOTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@H](Sc2cccc(Cl)c2)[C@H](O)[C@H]([C@H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 |
SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O |